2-[4-[2-[4-[2-oxo-2-[(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)amino]ethoxy]phenyl]ethyl]phenoxy]-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide

C36H34N4O6S2 — CID 11664742

IUPAC2-[4-[2-[4-[2-oxo-2-[(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)amino]ethoxy]phenyl]ethyl]phenoxy]-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(COc1ccc(CCc2ccc(OCC(=O)NN3C(=O)CSC3c3ccccc3)cc2)cc1)NN1C(=O)CSC1c1ccccc1
InChIInChI=1S/C36H34N4O6S2/c41-31(37-39-33(43)23-47-35(39)27-7-3-1-4-8-27)21-45-29-17-13-25(14-18-29)11-12-26-15-19-30(20-16-26)46-22-32(42)38-40-34(44)24-48-36(40)28-9-5-2-6-10-28/h1-10,13-20,35-36H,11-12,21-24H2,(H,37,41)(H,38,42)
InChIKeyIUTOSQDVWIGKMI-UHFFFAOYSA-N
MW682.82 g/mol
LogP4.84
Rot. Bonds13

About 2-[4-[2-[4-[2-oxo-2-[(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)amino]ethoxy]phenyl]ethyl]phenoxy]-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide

2-[4-[2-[4-[2-oxo-2-[(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)amino]ethoxy]phenyl]ethyl]phenoxy]-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide (PubChem CID 11664742) has the molecular formula C36H34N4O6S2 and a molecular weight of 682.82 g/mol. Its IUPAC name is 2-[4-[2-[4-[2-oxo-2-[(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)amino]ethoxy]phenyl]ethyl]phenoxy]-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide.

Molecular Properties

Compound Name2-[4-[2-[4-[2-oxo-2-[(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)amino]ethoxy]phenyl]ethyl]phenoxy]-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide
PubChem CID11664742
Molecular FormulaC36H34N4O6S2
Molecular Weight682.82 g/mol
Exact Mass682.19
IUPAC Name2-[4-[2-[4-[2-oxo-2-[(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)amino]ethoxy]phenyl]ethyl]phenoxy]-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide
SMILESO=C(COc1ccc(CCc2ccc(OCC(=O)NN3C(=O)CSC3c3ccccc3)cc2)cc1)NN1C(=O)CSC1c1ccccc1
InChIInChI=1S/C36H34N4O6S2/c41-31(37-39-33(43)23-47-35(39)27-7-3-1-4-8-27)21-45-29-17-13-25(14-18-29)11-12-26-15-19-30(20-16-26)46-22-32(42)38-40-34(44)24-48-36(40)28-9-5-2-6-10-28/h1-10,13-20,35-36H,11-12,21-24H2,(H,37,41)(H,38,42)
InChIKeyIUTOSQDVWIGKMI-UHFFFAOYSA-N
XLogP4.84
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500682.82
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-[2-[4-[2-oxo-2-[(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)amino]ethoxy]phenyl]ethyl]phenoxy]-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide with MolForge

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Related Compounds

N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-[4-[2-[4-[2-[[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethoxy]phenyl]ethyl]phenoxy]acetamide
CID 11571232
N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-[4-[2-[4-[2-[[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]-2-oxoethoxy]phenyl]ethyl]phenoxy]acetamide
CID 11592987
2-carbazol-9-yl-N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 10812585
4-[(2S)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]-N-(4-phenylmethoxyphenyl)benzamide
CID 126180008
N-(4-ethoxyphenyl)-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 5053317
(2S)-2-(4-methoxyphenyl)-3-(2-phenylethyl)-1,3-thiazolidin-4-one
CID 720979
2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide
CID 10633556
N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(5-methyl-4-nitroso-2-propan-2-ylphenoxy)acetamide
CID 10765672
N-[4-(3,4-dimethylphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2-oxoimidazolidin-1-yl]-2-phenoxyacetamide
CID 25019540
methyl 2-[[2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetyl]amino]acetate
CID 23908643
N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenothiazin-10-ylacetamide
CID 10671957
3-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)-1,3-thiazolidin-4-one
CID 11842574

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-[2-oxo-2-[(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)amino]ethoxy]phenyl]ethyl]phenoxy]-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide?
The IUPAC name of 2-[4-[2-[4-[2-oxo-2-[(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)amino]ethoxy]phenyl]ethyl]phenoxy]-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide (CID 11664742) is 2-[4-[2-[4-[2-oxo-2-[(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)amino]ethoxy]phenyl]ethyl]phenoxy]-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide.
What is the SMILES notation for 2-[4-[2-[4-[2-oxo-2-[(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)amino]ethoxy]phenyl]ethyl]phenoxy]-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide?
The canonical SMILES for 2-[4-[2-[4-[2-oxo-2-[(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)amino]ethoxy]phenyl]ethyl]phenoxy]-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide is O=C(COc1ccc(CCc2ccc(OCC(=O)NN3C(=O)CSC3c3ccccc3)cc2)cc1)NN1C(=O)CSC1c1ccccc1.
What is the InChIKey of 2-[4-[2-[4-[2-oxo-2-[(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)amino]ethoxy]phenyl]ethyl]phenoxy]-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide?
The InChIKey is IUTOSQDVWIGKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34N4O6S2/c41-31(37-39-33(43)23-47-35(39)27-7-3-1-4-8-27)21-45-29-17-13-25(14-18-29)11-12-26-15-19-30(20-16-26)46-22-32(42)38-40-34(44)24-48-36(40)28-9-5-2-6-10-28/h1-10,13-20,35-36H,11-12,21-24H2,(H,37,41)(H,38,42).
What are the key properties of 2-[4-[2-[4-[2-oxo-2-[(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)amino]ethoxy]phenyl]ethyl]phenoxy]-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide?
2-[4-[2-[4-[2-oxo-2-[(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)amino]ethoxy]phenyl]ethyl]phenoxy]-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide has a molecular weight of 682.82 g/mol, XLogP of 4.84, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-[2-oxo-2-[(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)amino]ethoxy]phenyl]ethyl]phenoxy]-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide is sourced from PubChem (CID 11664742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).